SCHEMBL28293586

SCHEMBL28293586

Cn1c(C(=O)c2ccccc2)c(C(N)=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.60
EGFR P00533 6/20 0.57
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
PTK2B Q14289 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16291319 0.84 SRC (0.67) SRCEGFRPKMKMT2APOLB
SCHEMBL16110173 0.77 KDM4E (0.58) SRCEGFRPKMKMT2APOLB
SCHEMBL29372620 0.76 EGFR (0.54) SRCEGFRALDH1A1MAPTKDM4E
SCHEMBL6671401 0.76 EGFR (0.66) SRCEGFRKMT2AALDH1A1LMNA
SCHEMBL29414698 0.76 EGFR (0.66) SRCEGFRKMT2AALDH1A1LMNA
SCHEMBL28246991 0.74 EGFR (0.64) SRCEGFRKMT2ANPC1ALDH1A1
SCHEMBL8999049 0.74 EGFR (0.69) SRCEGFRKMT2ANPC1ALDH1A1
SCHEMBL28068134 0.74 EGFR (0.64) SRCEGFRKMT2ANPC1ALDH1A1
SCHEMBL24864976 0.74 ALDH1A1 (0.72) SRCKMT2ANPC1ALDH1A1LMNA
SCHEMBL30804578 0.74 ALDH1A1 (0.72) SRCKMT2ANPC1ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109761875-A A kind of new method constructing amido bond 盐城工学院 2019-05-17 CN disclosed